1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride

C25H40Cl2N2O2 — CID 18593203

IUPAC1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(COCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H38N2O2.2ClH/c28-24(17-27-8-6-26(7-9-27)16-20-4-2-1-3-5-20)18-29-19-25-13-21-10-22(14-25)12-23(11-21)15-25;;/h1-5,21-24,28H,6-19H2;2*1H
InChIKeyZVSNRPJUGLRMGD-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.24
Rot. Bonds8

About 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride

1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride (PubChem CID 18593203) has the molecular formula C25H40Cl2N2O2 and a molecular weight of 471.51 g/mol. Its IUPAC name is 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride
PubChem CID18593203
Molecular FormulaC25H40Cl2N2O2
Molecular Weight471.51 g/mol
Exact Mass470.25
IUPAC Name1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride
SMILESCl.Cl.OC(COCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H38N2O2.2ClH/c28-24(17-27-8-6-26(7-9-27)16-20-4-2-1-3-5-20)18-29-19-25-13-21-10-22(14-25)12-23(11-21)15-25;;/h1-5,21-24,28H,6-19H2;2*1H
InChIKeyZVSNRPJUGLRMGD-UHFFFAOYSA-N
XLogP4.24
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{3-[2-(Adamantan-1-YL)ethoxy]-2-hydroxypropyl}(1-phenylethyl)amine hydrochloride
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CID 11958898
CID 11958898
1-(4-Benzyl-1-piperazinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol dihydrochloride
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1-[4-(Diphenylmethyl)-1-piperazinyl]-3-isopropoxy-2-propanol dihydrochloride
CID 16189400
1-[2-(Adamantan-1-YL)ethoxy]-3-(4-phenylpiperazin-1-YL)propan-2-OL dihydrochloride
CID 2769768
1-[2-(Adamantan-1-yl)ethoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride
CID 2770537
1-[2-(Adamantan-1-yl)ethoxy]-3-(4-benzylpiperazin-1-yl)propan-2-ol dihydrochloride
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1-[(Adamantan-1-yl)methoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride
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1-(4-benzhydrylpiperazin-1-yl)-3-((1R,4S)-bicyclo[2.2.1]heptan-2-ylmethoxy)propan-2-ol dihydrochloride
CID 45283748
1-(4-Benzyl-1-piperazinyl)-3-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-propanol dihydrochloride
CID 2867090
1-(4-Benzylpiperazin-1-yl)-3-((2-isopropyl-5-methylcyclohexyl)oxy)propan-2-ol dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The IUPAC name of 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride (CID 18593203) is 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The canonical SMILES for 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride is Cl.Cl.OC(COCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride?
The InChIKey is ZVSNRPJUGLRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2.2ClH/c28-24(17-27-8-6-26(7-9-27)16-20-4-2-1-3-5-20)18-29-19-25-13-21-10-22(14-25)12-23(11-21)15-25;;/h1-5,21-24,28H,6-19H2;2*1H.
What are the key properties of 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride?
1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride has a molecular weight of 471.51 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethoxy)-3-(4-benzylpiperazin-1-yl)propan-2-ol;dihydrochloride is sourced from PubChem (CID 18593203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).